3-bromo-2-methyl-1-benzofuran-7-amine

C9H8BrNO — CID 70200667

IUPAC3-bromo-2-methyl-1-benzofuran-7-amine
SMILESCc1oc2c(N)cccc2c1Br
InChIInChI=1S/C9H8BrNO/c1-5-8(10)6-3-2-4-7(11)9(6)12-5/h2-4H,11H2,1H3
InChIKeySWDMICVVDBVZSO-UHFFFAOYSA-N
MW226.07 g/mol
LogP3.09
Rot. Bonds

About 3-bromo-2-methyl-1-benzofuran-7-amine

3-bromo-2-methyl-1-benzofuran-7-amine (PubChem CID 70200667) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-bromo-2-methyl-1-benzofuran-7-amine.

Molecular Properties

Compound Name3-bromo-2-methyl-1-benzofuran-7-amine
PubChem CID70200667
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-bromo-2-methyl-1-benzofuran-7-amine
SMILESCc1oc2c(N)cccc2c1Br
InChIInChI=1S/C9H8BrNO/c1-5-8(10)6-3-2-4-7(11)9(6)12-5/h2-4H,11H2,1H3
InChIKeySWDMICVVDBVZSO-UHFFFAOYSA-N
XLogP3.09
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-1-benzofuran-7-amine?
The IUPAC name of 3-bromo-2-methyl-1-benzofuran-7-amine (CID 70200667) is 3-bromo-2-methyl-1-benzofuran-7-amine.
What is the SMILES notation for 3-bromo-2-methyl-1-benzofuran-7-amine?
The canonical SMILES for 3-bromo-2-methyl-1-benzofuran-7-amine is Cc1oc2c(N)cccc2c1Br.
What is the InChIKey of 3-bromo-2-methyl-1-benzofuran-7-amine?
The InChIKey is SWDMICVVDBVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c1-5-8(10)6-3-2-4-7(11)9(6)12-5/h2-4H,11H2,1H3.
What are the key properties of 3-bromo-2-methyl-1-benzofuran-7-amine?
3-bromo-2-methyl-1-benzofuran-7-amine has a molecular weight of 226.07 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-1-benzofuran-7-amine is sourced from PubChem (CID 70200667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).